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add section on troubleshooting tests
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sillitoe committed Feb 6, 2024
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Expand Up @@ -21,7 +21,7 @@ superfamilies (i.e. domains that are related by evolution).

**NextFlow** - [NextFlow](https://www.nextflow.io/) enables scalable and reproducible scientific workflows using software containers. It allows the adaptation of pipelines written in the most common scripting languages.

**dssp** - [dssp](https://github.com/PDB-REDO/dssp) applies secondary structure to protein sequence.
**dssp** - [dssp](https://github.com/PDB-REDO/dssp) applies secondary structure to protein sequence.
Needs first installed: [libmcfp](https://github.com/mhekkel/libmcfp)

**oracle** - Some datasources come optionally from an oracle database, for which there is access only within UCL. Instructions for UCL access to the database are [here](README.oracle.md)
Expand Down Expand Up @@ -132,25 +132,43 @@ You would typically run this from an HPC login node.
---

## Tracing and visualising timelines of the pipeline

https://www.nextflow.io/docs/latest/tracing.html

The production of a pipeline image needs the installation of graphviz

```
sudo apt install graphviz
```

Call nextflow with -with-dag, e.g.

```
./nextflow run workflows/cath-test-workflow.nf -with-dag cath-test-workflow.png
```

An html report that shows the process timings, gantt chart style

```
./nextflow run workflows/cath-test-workflow.nf -with-timeline cath-test-workflow-gantt.html
```
An html html report with plotly summaries of processes:

An html html report with plotly summaries of processes:

```
./nextflow run workflows/cath-test-workflow.nf -with-report cath-test-workflow-plots.html
```

A TSV type text file that shows a list of all the processes run, runtime, cpu, memory usage etc:

```
./nextflow run workflows/cath-test-workflow.nf -with-trace
```

## Troubleshooting

Errors when running tests

- make sure you have installed foldseek
- make sure you have refreshed dependencies (`pip install .`)
- did the last build work?

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